Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AGTR2 | P50052 | 2/20 | 0.46 |
| ▸ | NR1D1 | P20393 | 1/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
| ▸ | ABHD6 | Q9BV23 | 4/20 | 0.40 |
| ▸ | DAGLA | Q9Y4D2 | 3/20 | 0.40 |
| ▸ | CTSL | P07711 | 1/20 | 0.39 |
| ▸ | CTSB | P07858 | 1/20 | 0.39 |
| ▸ | CTSK | P43235 | 1/20 | 0.39 |
| ▸ | BDKRB2 | P30411 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL4294638 | 1.00 | AGTR2 (0.46) | AGTR2NR1D1OPRM1OPRD1OPRK1 | |
| SCHEMBL22555190 | 0.88 | AGTR2 (0.46) | AGTR2NR1D1OPRM1OPRD1OPRK1 | |
| SCHEMBL4297034 | 0.88 | AGTR2 (0.46) | AGTR2NR1D1OPRM1OPRD1OPRK1 | |
| SCHEMBL6975692 | 0.88 | AGTR2 (0.46) | AGTR2NR1D1OPRM1OPRD1OPRK1 | |
| SCHEMBL8063079 | 0.84 | ABCB1 (0.43) | AGTR2NR1D1OPRM1OPRD1OPRK1 | |
| SCHEMBL6978152 | 0.84 | ABCB1 (0.43) | AGTR2NR1D1OPRM1OPRD1OPRK1 | |
| SCHEMBL4298176 | 0.81 | NR1D1 (0.40) | NR1D1ABHD6DAGLA | |
| SCHEMBL3950648 | 0.81 | NR1D1 (0.40) | NR1D1ABHD6DAGLA | |
| SCHEMBL22555092 | 0.81 | AGTR2 (0.48) | AGTR2NR1D1OPRM1OPRD1OPRK1 | |
| SCHEMBL4303403 | 0.80 | HPGD (0.41) | OPRM1OPRD1ALDH1A1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6562964-B1 | Inhibitors of rotamase enzymes in particular FKBP-12 and FKBP-52. The compounds therefore moderate neuronal regeneration and outgrowth and can be used for treating neurological disorders arising from neurodegenerative diseases or other disorders | PFIZER INC | 2003-05-13 | — | — | US | disclosed |
| EP-1100797-B1 | HETEROCYCLIC COMPOUNDS AS INHIBITORS OF ROTAMASE ENZYMES | PFIZER LTD (GB) | 2003-02-26 | — | — | EP | disclosed |
| US-6372736-B1 | ENZYME INHIBITORS | PFIZER INC | 2002-04-16 | — | — | US | disclosed |
| EP-1100797-A1 | HETEROCYCLIC COMPOUNDS AS INHIBITORS OF ROTAMASE ENZYMES | Pfizer Limited (GB) | 2001-05-23 | — | — | EP | disclosed |
| WO-2000005232-A1 | HETEROCYCLIC COMPOUNDS AS INHIBITORS OF ROTAMASE ENZYMES | PFIZER LIMITED (GB) | 2000-02-03 | — | — | WO | disclosed |